SCHEMBL5113889

SCHEMBL5113889

CN1c2ccccc2CN(C(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21.O=C(c1ccc(-c2ccccc2)cc1)N1Cc2ccccc2Nc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
AVPR1A P37288 7/20 0.51
AVPR2 P30518 6/20 0.51
BRD4 O60885 7/20 0.48
BRD2 P25440 1/20 0.47
OXTR P30559 2/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4151567 0.92 HTT (0.60) HTTAVPR1AAVPR2BRD4BRD2
SCHEMBL4145691 0.89 AVPR1A (0.61) AVPR1AAVPR2OXTRALDH1A1POLB
SCHEMBL7332664 0.84 HTT (0.49) HTTAVPR1AAVPR2BRD4BRD2
SCHEMBL4155169 0.79 HTT (0.41) HTTAVPR1AAVPR2BRD4BRD2
SCHEMBL4152292 0.78 AVPR1A (0.65) AVPR1AAVPR2OXTRKMT2ARAB9A
SCHEMBL4150867 0.77 IDH1 (0.62) AVPR1AAVPR2
SCHEMBL4145636 0.76 TSHR (0.51) AVPR1AAVPR2BRD4ALDH1A1LMNA
SCHEMBL4140577 0.75 AVPR2 (0.48) AVPR1AAVPR2ALDH1A1POLBMEN1
SCHEMBL7337085 0.75 AVPR2 (0.63) AVPR1AAVPR2OXTR
SCHEMBL4144847 0.74 AVPR2 (0.52) AVPR1AAVPR2OXTRALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465722-B2 Biphenyl vasopressin agonists WYETH (US) 2008-12-16 US disclosed
US-7223752-B2 Biphenyl vasopressin agonists WYETH (US) 2007-05-29 US disclosed
EP-1381370-B1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS WYETH CORP (US) 2007-03-07 EP disclosed
US-20060276456-A1 Biphenyl vasopressin agonists WYETH (US) 2006-12-07 US disclosed
US-6903091-B2 Biphenyl vasopressin agonists WYETH (US) 2005-06-07 US disclosed
US-20050075328-A1 Biphenyl vasopressin agonists WYETH (US) 2005-04-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060276456-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 HTT 1517/4885AVPR1A 4/4885AVPR2 1/4885
US-20050075328-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 HTT 1517/4885AVPR1A 4/4885AVPR2 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.